Search Results - "Fiehn, Oliver"

Metabolomics by Gas Chromatography-Mass Spectrometry: Combined Targeted and Untargeted Profiling by Fiehn, Oliver

“…Gas chromatography-mass spectrometry (GC-MS)-based metabolomics is ideal for identifying and quantitating small-molecule metabolites (<650 Da), including small…”
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Chemical Similarity Enrichment Analysis (ChemRICH) as alternative to biochemical pathway mapping for metabolomic datasets by Barupal, Dinesh Kumar, Fiehn, Oliver

“…Metabolomics answers a fundamental question in biology: How does metabolism respond to genetic, environmental or phenotypic perturbations? Combining several…”
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Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach by Barupal, Dinesh Kumar, Fiehn, Oliver

“…Blood chemicals are routinely measured in clinical or preclinical research studies to diagnose diseases, assess risks in epidemiological research, or use…”
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Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry by Fiehn, Oliver

“…Gas chromatography coupled to mass spectrometry (GC-MS) is one of the most frequently used tools for profiling primary metabolites. Instruments are mature…”
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Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics by Vaniya, Arpana, Fiehn, Oliver

“…•State of the art in mass spectrometry (MS)-fragmentation-based identification.•Differentiation between MSn trees and fragmentation process trees.•Analytical…”
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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry by Kind, Tobias, Fiehn, Oliver

“…Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain…”
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Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography–High-Resolution Mass Spectrometry Platforms by Cajka, Tomas, Smilowitz, Jennifer T, Fiehn, Oliver

“…Liquid chromatography–mass spectrometry (LC–MS) methods are most often used for untargeted metabolomics and lipidomics. However, methods have not been…”
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LC-MS-Based Lipidomics and Automated Identification of Lipids Using the LipidBlast In-Silico MS/MS Library by Cajka, Tomas, Fiehn, Oliver

“…This protocol describes the analysis, specifically the identification, of blood plasma lipids. Plasma lipids are extracted using methyl tert-butyl ether…”
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Metabolomics--the link between genotypes and phenotypes by Fiehn, Oliver

“…Metabolites are the end products of cellular regulatory processes, and their levels can be regarded as the ultimate response of biological systems to genetic…”
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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics by Blaženović, Ivana, Kind, Tobias, Ji, Jian, Fiehn, Oliver

“…The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured…”
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Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm by Kind, Tobias, Fiehn, Oliver

“…Metabolomic studies are targeted at identifying and quantifying all metabolites in a given biological context. Among the tools used for metabolomic research,…”
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Mass spectral fragmentation of trimethylsilylated small molecules by Lai, Zijuan, Fiehn, Oliver

“…Mass spectrometry‐based untargeted metabolomics detects many peaks that cannot be identified. While advances have been made for automatic structure annotations…”
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Increasing lipidomic coverage by selecting optimal mobile-phase modifiers in LC–MS of blood plasma by Cajka, Tomas, Fiehn, Oliver

“…Reversed-phase ultrahigh-performance liquid chromatography–mass spectrometry (UHPLC–MS) is the method of choice for lipidomic profiling of blood plasma. For…”
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Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics by Cajka, Tomas, Fiehn, Oliver

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Integrating bioinformatics approaches for a comprehensive interpretation of metabolomics datasets by Barupal, Dinesh Kumar, Fan, Sili, Fiehn, Oliver

“…[Display omitted] •Statistics has become a commodity and serves as entry into data interpretation.•Metabolic pathway databases are incomplete and disagree on…”
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MetaMapR: pathway independent metabolomic network analysis incorporating unknowns by Grapov, Dmitry, Wanichthanarak, Kwanjeera, Fiehn, Oliver

“…Metabolic network mapping is a widely used approach for integration of metabolomic experimental results with biological domain knowledge. However, current…”
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Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification by Li, Yuanyue, Kind, Tobias, Folz, Jacob, Vaniya, Arpana, Mehta, Sajjan Singh, Fiehn, Oliver

“…Compound identification in small-molecule research, such as untargeted metabolomics or exposome research, relies on matching tandem mass spectrometry (MS/MS)…”
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Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools by Sud, Manish, Fahy, Eoin, Cotter, Dawn, Azam, Kenan, Vadivelu, Ilango, Burant, Charles, Edison, Arthur, Fiehn, Oliver, Higashi, Richard, Nair, K Sreekumaran, Sumner, Susan, Subramaniam, Shankar

“…The Metabolomics Workbench, available at www.metabolomicsworkbench.org, is a public repository for metabolomics metadata and experimental data spanning various…”
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Identification of small molecules using accurate mass MS/MS search by Kind, Tobias, Tsugawa, Hiroshi, Cajka, Tomas, Ma, Yan, Lai, Zijuan, Mehta, Sajjan S., Wohlgemuth, Gert, Barupal, Dinesh Kumar, Showalter, Megan R., Arita, Masanori, Fiehn, Oliver

“…Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS spectra from screening small molecules in fields such as…”
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Adipocyte-Induced FABP4 Expression in Ovarian Cancer Cells Promotes Metastasis and Mediates Carboplatin Resistance by Mukherjee, Abir, Chiang, Chun-Yi, Daifotis, Helen A, Nieman, Kristin M, Fahrmann, Johannes F, Lastra, Ricardo R, Romero, Iris L, Fiehn, Oliver, Lengyel, Ernst

“…Adipocytes are critical for ovarian cancer cells to home to the omentum, but the metabolic changes initiated by this interaction are unknown. To this end, we…”
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